N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride

C18H22ClN3O3 — CID 119651912

IUPACN-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-19-12-15-7-3-9-21(15)18(23)13-5-2-6-14(11-13)20-17(22)16-8-4-10-24-16;/h2,4-6,8,10-11,15,19H,3,7,9,12H2,1H3,(H,20,22);1H
InChIKeyXYBLJIFDUKCYBL-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.78
Rot. Bonds5

About N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride

N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119651912) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119651912
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-19-12-15-7-3-9-21(15)18(23)13-5-2-6-14(11-13)20-17(22)16-8-4-10-24-16;/h2,4-6,8,10-11,15,19H,3,7,9,12H2,1H3,(H,20,22);1H
InChIKeyXYBLJIFDUKCYBL-UHFFFAOYSA-N
XLogP2.78
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 78793816
furan-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651190
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119651472
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119651940
N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119650096
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119649101
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride
CID 120570517
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101
(3aS,6aR)-2-[3-(furan-2-carbonylamino)benzoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683754

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride (CID 119651912) is N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride is CNCC1CCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1.Cl.
What is the InChIKey of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is XYBLJIFDUKCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c1-19-12-15-7-3-9-21(15)18(23)13-5-2-6-14(11-13)20-17(22)16-8-4-10-24-16;/h2,4-6,8,10-11,15,19H,3,7,9,12H2,1H3,(H,20,22);1H.
What are the key properties of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride?
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119651912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).